Basic information
- CAS
54673-07-3- Standard SMILES
N#CC(=Cc1cccc(O)c1)C(=O)O- InChIKey
HPLNTJVXWMJLNJ-UHFFFAOYSA-N- Molecular formula
- C10H7NO3
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.04259309
Overview
See also: Alpha-cyano-m-hydroxycinnamic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid
- IUPAC
- 2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid
- English name
- alpha-Cyano-3-hydroxycinnamic acid
- Molecular formula
- C10H7NO3
- Molecular weight
- 189.17
Names & synonyms
2-cyano-3-(3-hydroxyphenyl)-2-propenoic acidRefChem:47060854673-07-32-Cyano-3-(3-hydroxyphenyl)acrylic Acid2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acidMFCD00004203KBio2_004545Spectrum_001497Spectrum2_001471Spectrum3_001505Spectrum4_000333KBioGR_000705
Show more names
α-Cyano-3-hydroxycinnamic AcidLABOTEST-BB LT001592592-Cyano-3-(3-hydroxyphenyl)alpha-cyano-3-hydroxycinnamateA-CYANO-5-HYDROXYCINNAMIC ACIDa-Cyano-m-hydroxycinnamic acid.alpha-Cyano-3-hydroxycinnamicaciALPHA-CYANO-5-HYDROXYCINNAMIC ACIDALPHA-CYANO-M-HYDROXYCINNAMIC ACID
KBioSS_001977DivK1c_000765SPBio_001421a-cyano-3-hydroxycinnamic acidSCHEMBL1285559KBio1_000765KBio2_001977KBio2_007113
Database identifiers
- CAS
54673-07-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 232 °C · 232 °C (dec.)(lit.)
- Boiling point
- 324.41 °C · 324.41°C (rough estimate)
- Density
- 1.3175 · 1.3175 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 0.6 · 0.60±0.10(Predicted)
- form
- Crystalline Powder
- color
- Green-yellow
- CAS DataBase Reference
- 54673 · 54673-07-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29269095
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Usesinhibit mitochondrial pyruvate transport
Suppliers35 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
0 records
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Compound notes
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